| CAS Number | 3100-36-5 |
| Catalog Number | AG0031WV(AGN-PC-0JSHW7) |
| Chemical Name | 8-Cyclohexadecen-1-one |
| IUPAC Name | cyclohexadec-8-en-1-one |
| InChI | InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2H,3-15H2 |
| InChI Key | ZGEHHVDYDNXYMW-UHFFFAOYSA-N |
| MDL Number | MFCD00012389 |
| Molecular Formula | C16H28O |
| Molecular Weight | 236.3929 |
| SMILES | O=C1CCCCCCCC=CCCCCCC1 |
| Synonyms | cyclohexadec-8-en-1-one,
8-Cyclohexadecen-1-one,
cyclohexadec-8-en-1-one,
8-Cyclohexadecenone,
3100-36-5,
(Z)-cyclohexadec-8-enone,
DTXSID0051994,
CTK1C4372,
CTK1G0505,
ZGEHHVDYDNXYMW-UHFFFAOYSA-N,
8-Cyclohexadecen-1-one, (8E)-,
ZINC299888833,
5365-06-0,
8-CYCLOHEXADECANONE,
C16-H28-O,
EC 401-700-2,
A mixture of cis- and trans-cyclohexadec-8-en-1-one,
Cyclohexadec-8-en-1-one mixture of cis and trans isomer,
reaction mass of cis- and trans-cyclohexadec-8-en-1-one,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.214g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.399g/mol |
| Monoisotopic Mass | 236.214g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number